Crystallography Open Database

Information card for entry 1515277

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Coordinates	1515277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H70 N6 O30 S2
Calculated formula	C24 H70 N6 O30 S2
Title of publication	Structural and kinetic study of self-assembling macrocyclic dimer natural product aminoglycoside 66-40C and unnatural variants
Authors of publication	Hanessian, Stephen; Maianti, Juan Pablo; Ly, Vu Linh; Deschênes-Simard, Benoît
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	1
Pages of publication	249
a	6.7453 ± 0.0001 Å
b	25.6806 ± 0.0005 Å
c	25.6822 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4448.76 ± 0.14 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.103
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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